2,4,6-trimethyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide

C26H33N4O2S+ — CID 4070205

IUPAC2,4,6-trimethyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCC(c2cccnc2)[NH+]2CCN(c3ccccc3)CC2)c(C)c1
InChIInChI=1S/C26H32N4O2S/c1-20-16-21(2)26(22(3)17-20)33(31,32)28-19-25(23-8-7-11-27-18-23)30-14-12-29(13-15-30)24-9-5-4-6-10-24/h4-11,16-18,25,28H,12-15,19H2,1-3H3/p+1
InChIKeyUCRLWRIXZNOJLU-UHFFFAOYSA-O
MW465.64 g/mol
LogP2.43
Rot. Bonds7

About 2,4,6-trimethyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide

2,4,6-trimethyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide (PubChem CID 4070205) has the molecular formula C26H33N4O2S+ and a molecular weight of 465.64 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide
PubChem CID4070205
Molecular FormulaC26H33N4O2S+
Molecular Weight465.64 g/mol
Exact Mass465.23
IUPAC Name2,4,6-trimethyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCC(c2cccnc2)[NH+]2CCN(c3ccccc3)CC2)c(C)c1
InChIInChI=1S/C26H32N4O2S/c1-20-16-21(2)26(22(3)17-20)33(31,32)28-19-25(23-8-7-11-27-18-23)30-14-12-29(13-15-30)24-9-5-4-6-10-24/h4-11,16-18,25,28H,12-15,19H2,1-3H3/p+1
InChIKeyUCRLWRIXZNOJLU-UHFFFAOYSA-O
XLogP2.43
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.64
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,4,6-trimethyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide with MolForge

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Related Compounds

N-[2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-ylethyl]thiophene-2-sulfonamide
CID 4070202
N-[2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-ylethyl]furan-2-carboxamide
CID 3503410
N-[(2S)-2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide
CID 7087582
2,4,6-trimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 42267382
N-[(2R)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide
CID 40774908
4-chloro-N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide
CID 16806780
N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]thiophene-2-sulfonamide
CID 3237610
N-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-pyridin-3-ylethyl]cyclopropanecarboxamide
CID 4059551
2,5-dimethyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzenesulfonamide
CID 112506407
N-[2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-2-pyridin-3-ylethyl]-2-methylpropanamide
CID 4067157
4-methyl-N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]benzenesulfonamide
CID 30888568
4-methyl-N-[(2S)-2-phenyl-2-piperazine-1,4-diium-1-ylethyl]benzenesulfonamide
CID 6967256

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide (CID 4070205) is 2,4,6-trimethyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NCC(c2cccnc2)[NH+]2CCN(c3ccccc3)CC2)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide?
The InChIKey is UCRLWRIXZNOJLU-UHFFFAOYSA-O. The full InChI is InChI=1S/C26H32N4O2S/c1-20-16-21(2)26(22(3)17-20)33(31,32)28-19-25(23-8-7-11-27-18-23)30-14-12-29(13-15-30)24-9-5-4-6-10-24/h4-11,16-18,25,28H,12-15,19H2,1-3H3/p+1.
What are the key properties of 2,4,6-trimethyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide?
2,4,6-trimethyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide has a molecular weight of 465.64 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-[2-(4-phenylpiperazin-1-ium-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide is sourced from PubChem (CID 4070205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).